element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.2256', '1.0359004']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:20:30       -3.105396         2.632117
BFGS:    1 21:20:30       -3.262703         1.080480
BFGS:    2 21:20:30       -3.303117         0.287856
BFGS:    3 21:20:31       -3.306500         0.056878
BFGS:    4 21:20:31       -3.306632         0.033951
BFGS:    5 21:20:31       -3.306653         0.025673
BFGS:    6 21:20:31       -3.306669         0.006239
BFGS:    7 21:20:31       -3.306670         0.001127
BFGS:    8 21:20:31       -3.306670         0.000080
BFGS:    9 21:20:31       -3.306670         0.000006
BFGS:   10 21:20:31       -3.306670         0.000000
BFGS:   11 21:20:31       -3.306670         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.988163779516584e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.394452918537818, -3.190749021723343e-35, 7.725616435657329e-36], [-4.9556105685999945e-36, 2.394452918537819, 6.596590385152187e-18], [7.594156976103867e-33, 6.664063377033531e-18, 2.394452918581102]])
forces =  [[0. 0. 0.]]
stress =  [-8.98816378e-11 -8.98816378e-11 -6.35107487e-11 -2.15964352e-26
 -3.35913827e-35 -6.91467653e-51]
energy per atom =  -3.3066700104921645
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.